1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

C18H34N3OS+ — CID 8788206

IUPAC1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea
SMILESS=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H33N3OS/c23-17(20-16-7-3-1-4-8-16)19-15-18(9-5-2-6-10-18)21-11-13-22-14-12-21/h16H,1-15H2,(H2,19,20,23)/p+1
InChIKeyNTSPJWFBFVPBOJ-UHFFFAOYSA-O
MW340.56 g/mol
LogP1.40
Rot. Bonds4

About 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea

1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea (PubChem CID 8788206) has the molecular formula C18H34N3OS+ and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea
PubChem CID8788206
Molecular FormulaC18H34N3OS+
Molecular Weight340.56 g/mol
Exact Mass340.24
IUPAC Name1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea
SMILESS=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H33N3OS/c23-17(20-16-7-3-1-4-8-16)19-15-18(9-5-2-6-10-18)21-11-13-22-14-12-21/h16H,1-15H2,(H2,19,20,23)/p+1
InChIKeyNTSPJWFBFVPBOJ-UHFFFAOYSA-O
XLogP1.40
TPSA37.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea (CID 8788206) is 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea is S=C(NCC1([NH+]2CCOCC2)CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea?
The InChIKey is NTSPJWFBFVPBOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H33N3OS/c23-17(20-16-7-3-1-4-8-16)19-15-18(9-5-2-6-10-18)21-11-13-22-14-12-21/h16H,1-15H2,(H2,19,20,23)/p+1.
What are the key properties of 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea?
1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea has a molecular weight of 340.56 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea is sourced from PubChem (CID 8788206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).